9MA1
Crystal structure of MctB from Mycobacterium tuberculosis at 3.25 Angstroms resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-02-03 |
| Detector | MAR CCD 300 mm |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 4 2 2 |
| Unit cell lengths | 121.793, 121.793, 88.458 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 3.250 |
| R-factor | 0.235 |
| Rwork | 0.232 |
| R-free | 0.29700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3UUY |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.299 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.310 |
| High resolution limit [Å] | 3.250 | 3.250 |
| Rmerge | 0.095 | 0.535 |
| Number of reflections | 10887 | 494 |
| <I/σ(I)> | 19.1 | 2.5 |
| Completeness [%] | 99.2 | 93.4 |
| Redundancy | 6.1 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | sodium acetate, ammonium sulfate |
